Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 30 results

Search term: HEFNNWSXXWATRW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3544


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
C13H18O2206.280821457327925402
36498


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
C13H18O2206.280813517124240
102822

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
C13H18O2206.2808758800
23936387

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3
C13H15D3O2209.2993293400
48060957

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1/i3D3
C13H15D3O2209.2993121500
48060926

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3D3
C13H15D3O2209.2993101300
48060866

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
C713C6H18O2212.236791300
49073446

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3+1D3
C1213CH15D3O2210.2925800
2574234

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1
C13H17O2205.27345500
10132256

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1/i10D
C13H17DO2207.2873300
66424143

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3,10D
C13H14D4O2210.30552200
107435558

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i1+1,2+1,9+1
C1013C3H18O2209.25882300
5294198

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1/t10-/m0/s1
C13H17O2205.272882100
9599260

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4D,5D,6D,7D,10D
C13H13D5O2211.31162100
9811813

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3+2
C1214CH18O2208.27342100
9811944

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i1T3,2T3,3T3,8T,9T,10T
C13H6T12O2230.37812100
9847664

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i8T,9T/t8?,10-
C13H16T2O2210.2972200
10005265

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i10D
C13H17DO2207.2872100
129214638

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3-1
C1211CH18O2205.28161100
12

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